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PubPharm (11)
1
Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD
enthalten in:
Computers in biology and medicine
| 2023
von
Mitra, S.
|
Halder, A.
|
Ghosh, N.
| +2
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2
Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein : A Computational and Experimental Study
enthalten in:
Molecules (Basel, Switzerland)
| 2020
von
González-Durruthy, M.
|
Concu, R.
|
Vendrame, L.
| +3
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3
Mapping the underlying mechanisms of fibrinogen benzothiazole drug interactions using computational and experimental approaches
enthalten in:
International journal of biological macromolecules
| 2020
von
González-Durruthy, M.
|
Scanavachi, G.
|
Rial, R.
| +4
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4
Interaction of Coumarin Phytoestrogens with ERα and ERβ : A Molecular Dynamics Simulation Study
enthalten in:
Molecules (Basel, Switzerland)
| 2020
von
Wang, T.
|
Wang, Y.
|
Zhuang, X.
| +3
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5
CompScore : Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring
enthalten in:
Journal of chemical information and modeling
| 2019
von
Perez-Castillo, Y.
|
Sotomayor-Burneo, S.
|
Jimenes-Vargas, K.
| +7
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6
Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands
enthalten in:
Current neuropharmacology
| 2017
von
Perez-Castillo, Y.
|
Helguera, A.
|
Cordeiro, M.
| +5
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7
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands
enthalten in:
Journal of chemical information and modeling
| 2015
von
Castillo-González, D.
|
Mergny, J.
|
De Rache, A.
| +14
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8
Recent advances on QSAR-based profiling of agonist and antagonist A3 adenosine receptor ligands
enthalten in:
Current topics in medicinal chemistry
| 2013
von
Deng, C.
|
Luan, F.
|
Cruz-Monteagudo, M.
| +2
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9
A ligand-based approach for the in silico discovery of multi-target inhibitors for proteins associated with HIV infection
enthalten in:
Molecular bioSystems
| 2012
von
Speck-Planche, A.
|
Kleandrova, V.
|
Luan, F.
| +1
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10
On the stability of metal-aminoacid complexes in water based on water-ligand exchange reactions and electronic properties : detailed study on iron-glycine hexacoordinated complexes
enthalten in:
Journal of computational chemistry
| 2010
von
Mandado, M.
|
Cordeiro, M.
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1
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Thema: Ligands
Medienart
11
Aufsätze
11
E-Artikel
11
E-Ressourcen
Zeitschriftentitel
2
Journal of chemical information and modeling
2
Molecules (Basel, Switzerland)
1
Chemical biology & drug design
1
Computers in biology and medicine
1
Current neuropharmacology
1
Current topics in medicinal chemistry
1
International journal of biological macromolecules
1
Journal of computational chemistry
1
Molecular bioSystems
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Thema
11
Journal Article
Ligands
6
Research Support, Non-U.S. Gov't
2
9001-32-5
2
Fibrinogen
2
Receptor, Adenosine A3
2
molecular docking
1
059QF0KO0R
1
2500-80-3
1
2D-FFT signals
1
4'-thioadenosine
1
A4VZ22K1WT
1
Acridines
1
Adenosine
1
Adenosine A2 Receptor Antagonists
1
Adenosine A3 Receptor Agonists
1
Adrenergic beta-Antagonists
1
Anti-HIV Agents
1
BRACO-19
1
BTS
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Erscheinungszeitraum
4
2020-
7
2010-2019
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11
Englisch
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